data_1cq5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cq5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.483 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 116.053 7.853 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.483 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.509 -1.882 0 N19-C1'-C2' 118.074 2.921 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.459 ' C5 ' ' C4 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 114.246 6.046 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.439 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.488 -4.037 1 O4'-C1'-N19 115.186 6.986 . 0.866 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.493 " H2'" ' C6 ' ' A' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.226 3 O4'-C1'-N19 114.381 6.181 . 0.349 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' U' . . . . . 0.493 ' C6 ' " H2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.411 -1.818 2 C3'-C2'-C1' 106.694 5.771 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.432 HO2' ' P ' ' A' ' 8' ' ' ' A' . . . . . . . . 2 C2'--C1' 1.468 -5.952 4 C4'-C3'-C2' 112.494 9.794 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.432 ' P ' HO2' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.343 3 C5'-C4'-C3' 106.239 -6.174 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' C' . . . . . 0.453 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.773 4 O4'-C1'-N19 116.962 8.762 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 98.382 -3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.542 HO2' ' P ' ' A' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 123.902 3.502 . 0.141 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.542 ' P ' HO2' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.185 2 O4'-C1'-N19 115.643 7.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.43 ' C8 ' " H2'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 113.098 4.898 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' U' . . . . . 0.535 HO2' ' P ' ' A' ' 15' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.503 1 O4'-C1'-N19 112.521 4.321 OUTLIER-EPSILON 0.122 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.535 ' P ' HO2' ' A' ' 14' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.41 -1.905 2 O4'-C1'-N19 112.981 4.781 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.492 ' C8 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 3 O5'-C5'-C4' 102.406 -5.567 OUTLIER-EPSILON 0.069 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.455 ' P ' HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 N19-C1'-C2' 99.678 -8.576 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-O4' 105.891 -2.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 1 C5'-C4'-C3' 105.416 -6.723 . 0.597 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-O4' 113.264 2.903 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.038 -2.662 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.422 ' N2 ' ' C8 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 111.161 2.961 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.549 " H2'" ' C8 ' ' A' ' 24' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.782 1 O5'-C5'-C4' 116.749 4.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' A' . . . . . 0.549 ' C8 ' " H2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.493 -3.517 2 O4'-C1'-N19 102.654 -5.546 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.505 ' C8 ' " H2'" ' A' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 119.384 11.184 OUTLIER-EPSILON 0.492 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.436 ' P ' HO2' ' A' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 C5'-C4'-C3' 109.332 -4.112 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 O4'-C1'-N19 114.322 6.122 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 114.633 6.433 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 O4'-C1'-N19 113.603 5.403 . 0.193 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' G' . . . . . 0.513 " H3'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.088 2 O4'-C1'-N19 114.31 6.11 . 0.019 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . 0.513 ' C6 ' " H3'" ' A' ' 30' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . 0.576 ' C2 ' " H1'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 P-O3'-C3' 126.298 5.498 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.576 " H1'" ' C2 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 P-O3'-C3' 123.972 3.56 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.414 1 O4'-C1'-N19 112.969 4.769 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . 0.426 HO2' ' P ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.111 -3.589 OUTLIER-EPSILON 0.58 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.441 HO2' " C1'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.076 -3.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.512 ' C6 ' " H1'" ' A' ' 38' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C5'-C4'-O4' 115.241 4.315 . 0.01 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' G' . . . . . 0.512 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.496 -3.206 2 O4'-C1'-N19 118.145 9.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 1 O5'-C5'-C4' 116.426 4.447 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 114.084 5.884 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 98.854 -3.846 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 1 O4'-C1'-N19 116.049 7.849 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.558 3.358 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.55 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 116.053 7.853 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.55 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.509 -1.882 0 N19-C1'-C2' 118.074 2.921 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.459 ' C5 ' ' C4 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 114.246 6.046 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.439 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.488 -4.037 1 O4'-C1'-N19 115.186 6.986 . 0.866 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.548 " H2'" ' C6 ' ' A' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.226 3 O4'-C1'-N19 114.381 6.181 . 0.349 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' U' . . . . . 0.548 ' C6 ' " H2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.411 -1.818 2 C3'-C2'-C1' 106.694 5.771 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.468 -5.952 4 C4'-C3'-C2' 112.494 9.794 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.41 ' C5 ' ' H5 ' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.343 3 C5'-C4'-C3' 106.239 -6.174 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' C' . . . . . 0.445 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.773 4 O4'-C1'-N19 116.962 8.762 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 98.382 -3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 123.902 3.502 . 0.141 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.458 " H2'" ' C8 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 2 O4'-C1'-N19 115.643 7.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.458 ' C8 ' " H2'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 113.098 4.898 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' U' . . . . . 0.525 ' C4 ' ' C5 ' ' A' ' 15' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.503 1 O4'-C1'-N19 112.521 4.321 OUTLIER-EPSILON 0.122 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.525 ' C5 ' ' C4 ' ' A' ' 14' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.41 -1.905 2 O4'-C1'-N19 112.981 4.781 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.492 ' C8 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 3 O5'-C5'-C4' 102.406 -5.567 OUTLIER-EPSILON 0.069 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 N19-C1'-C2' 99.678 -8.576 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-O4' 105.891 -2.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 1 C5'-C4'-C3' 105.416 -6.723 . 0.597 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-O4' 113.264 2.903 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.038 -2.662 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.422 ' N2 ' ' C8 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 111.161 2.961 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.575 " H2'" ' C8 ' ' A' ' 24' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.782 1 O5'-C5'-C4' 116.749 4.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' A' . . . . . 0.575 ' C8 ' " H2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.493 -3.517 2 O4'-C1'-N19 102.654 -5.546 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.495 ' C8 ' " H2'" ' A' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 119.384 11.184 OUTLIER-EPSILON 0.492 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.441 ' H8 ' " H3'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 C5'-C4'-C3' 109.332 -4.112 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 O4'-C1'-N19 114.322 6.122 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 114.633 6.433 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 O4'-C1'-N19 113.603 5.403 . 0.193 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' G' . . . . . 0.515 " H3'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.088 2 O4'-C1'-N19 114.31 6.11 . 0.019 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . 0.515 ' C6 ' " H3'" ' A' ' 30' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.581 ' C2 ' " H1'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 P-O3'-C3' 126.298 5.498 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.581 " H1'" ' C2 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 P-O3'-C3' 123.972 3.56 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.414 1 O4'-C1'-N19 112.969 4.769 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.111 -3.589 OUTLIER-EPSILON 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.076 -3.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.591 ' C6 ' " H1'" ' A' ' 38' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C5'-C4'-O4' 115.241 4.315 . 0.01 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' G' . . . . . 0.591 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.496 -3.206 2 O4'-C1'-N19 118.145 9.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 1 O5'-C5'-C4' 116.426 4.447 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 114.084 5.884 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 98.854 -3.846 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 1 O4'-C1'-N19 116.049 7.849 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.558 3.358 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.55 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 116.053 7.853 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.55 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.509 -1.882 0 N19-C1'-C2' 118.074 2.921 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.459 ' C5 ' ' C4 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 1 O4'-C1'-N19 114.246 6.046 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.439 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' U' . . . . . . . . 1 C2'--C1' 1.488 -4.037 1 O4'-C1'-N19 115.186 6.986 . 0.866 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.548 " H2'" ' C6 ' ' A' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.226 3 O4'-C1'-N19 114.381 6.181 . 0.349 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' U' . . . . . 0.548 ' C6 ' " H2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.411 -1.818 2 C3'-C2'-C1' 106.694 5.771 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.468 -5.952 4 C4'-C3'-C2' 112.494 9.794 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.41 ' C5 ' ' H5 ' ' A' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.343 3 C5'-C4'-C3' 106.239 -6.174 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' C' . . . . . 0.445 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.773 4 O4'-C1'-N19 116.962 8.762 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.99 0 C3'-C2'-C1' 98.382 -3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 123.902 3.502 . 0.141 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.458 " H2'" ' C8 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 2 O4'-C1'-N19 115.643 7.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.458 ' C8 ' " H2'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.705 2 O4'-C1'-N19 113.098 4.898 . 0.164 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' U' . . . . . 0.525 ' C4 ' ' C5 ' ' A' ' 15' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.503 1 O4'-C1'-N19 112.521 4.321 OUTLIER-EPSILON 0.122 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.525 ' C5 ' ' C4 ' ' A' ' 14' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.41 -1.905 2 O4'-C1'-N19 112.981 4.781 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.492 ' C8 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 3 O5'-C5'-C4' 102.406 -5.567 OUTLIER-EPSILON 0.069 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 N19-C1'-C2' 99.678 -8.576 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C5'-C4'-O4' 105.891 -2.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 1 C5'-C4'-C3' 105.416 -6.723 . 0.597 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C5'-C4'-O4' 113.264 2.903 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.038 -2.662 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.422 ' N2 ' ' C8 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 111.161 2.961 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.575 " H2'" ' C8 ' ' A' ' 24' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.5 -2.782 1 O5'-C5'-C4' 116.749 4.678 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' A' . . . . . 0.575 ' C8 ' " H2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.493 -3.517 2 O4'-C1'-N19 102.654 -5.546 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.495 ' C8 ' " H2'" ' A' ' 24' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 119.384 11.184 OUTLIER-EPSILON 0.492 1L . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.441 ' H8 ' " H3'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 C5'-C4'-C3' 109.332 -4.112 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 2 O4'-C1'-N19 114.322 6.122 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 1 O4'-C1'-N19 114.633 6.433 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 1 O4'-C1'-N19 113.603 5.403 . 0.193 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' G' . . . . . 0.515 " H3'" ' C6 ' ' A' ' 31' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.088 2 O4'-C1'-N19 114.31 6.11 . 0.019 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . 0.515 ' C6 ' " H3'" ' A' ' 30' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.031 2 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.581 ' C2 ' " H1'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 P-O3'-C3' 126.298 5.498 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.581 " H1'" ' C2 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 P-O3'-C3' 123.972 3.56 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.414 1 O4'-C1'-N19 112.969 4.769 . 0.844 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.111 -3.589 OUTLIER-EPSILON 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.076 -3.624 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.591 ' C6 ' " H1'" ' A' ' 38' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.36 1 C5'-C4'-O4' 115.241 4.315 . 0.01 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' G' . . . . . 0.591 " H1'" ' C6 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.496 -3.206 2 O4'-C1'-N19 118.145 9.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 1 O5'-C5'-C4' 116.426 4.447 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 114.084 5.884 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 98.854 -3.846 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 1 O4'-C1'-N19 116.049 7.849 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.558 3.358 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_